(5-aminonaphthalen-2-yl) formate

C11H9NO2 — CID 141416751

IUPAC(5-aminonaphthalen-2-yl) formate
SMILESNc1cccc2cc(OC=O)ccc12
InChIInChI=1S/C11H9NO2/c12-11-3-1-2-8-6-9(14-7-13)4-5-10(8)11/h1-7H,12H2
InChIKeyNIRBNFZABGRSPH-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.96
Rot. Bonds2

About (5-aminonaphthalen-2-yl) formate

(5-aminonaphthalen-2-yl) formate (PubChem CID 141416751) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is (5-aminonaphthalen-2-yl) formate.

Molecular Properties

Compound Name(5-aminonaphthalen-2-yl) formate
PubChem CID141416751
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name(5-aminonaphthalen-2-yl) formate
SMILESNc1cccc2cc(OC=O)ccc12
InChIInChI=1S/C11H9NO2/c12-11-3-1-2-8-6-9(14-7-13)4-5-10(8)11/h1-7H,12H2
InChIKeyNIRBNFZABGRSPH-UHFFFAOYSA-N
XLogP1.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-aminonaphthalen-2-yl) formate?
The IUPAC name of (5-aminonaphthalen-2-yl) formate (CID 141416751) is (5-aminonaphthalen-2-yl) formate.
What is the SMILES notation for (5-aminonaphthalen-2-yl) formate?
The canonical SMILES for (5-aminonaphthalen-2-yl) formate is Nc1cccc2cc(OC=O)ccc12.
What is the InChIKey of (5-aminonaphthalen-2-yl) formate?
The InChIKey is NIRBNFZABGRSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c12-11-3-1-2-8-6-9(14-7-13)4-5-10(8)11/h1-7H,12H2.
What are the key properties of (5-aminonaphthalen-2-yl) formate?
(5-aminonaphthalen-2-yl) formate has a molecular weight of 187.20 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminonaphthalen-2-yl) formate is sourced from PubChem (CID 141416751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).